ethyl 4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)propanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)propanoylamino]benzoate Openeye Name: ethyl 4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)propanoylamino]benzoate CAS Name: 4-[[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)propyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)propanoylamino]benzoate Traditional Name: 4-[2-(1H-1,2,4-triazol-5-ylthio)propanoylamino]benzoic acid ethyl ester Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=NC=NN2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=NC=NN2

InChI

InChI=1S/C14H16N4O3S/c1-3-21-13(20)10-4-6-11(7-5-10)17-12(19)9(2)22-14-15-8-16-18-14/h4-9H,3H2,1-2H3,(H,17,19)(H,15,16,18)